全文获取类型
收费全文 | 3269篇 |
免费 | 366篇 |
国内免费 | 310篇 |
专业分类
化学 | 1187篇 |
晶体学 | 15篇 |
力学 | 882篇 |
综合类 | 82篇 |
数学 | 901篇 |
物理学 | 878篇 |
出版年
2024年 | 4篇 |
2023年 | 33篇 |
2022年 | 77篇 |
2021年 | 161篇 |
2020年 | 129篇 |
2019年 | 113篇 |
2018年 | 89篇 |
2017年 | 144篇 |
2016年 | 169篇 |
2015年 | 100篇 |
2014年 | 167篇 |
2013年 | 235篇 |
2012年 | 199篇 |
2011年 | 205篇 |
2010年 | 140篇 |
2009年 | 168篇 |
2008年 | 149篇 |
2007年 | 187篇 |
2006年 | 167篇 |
2005年 | 152篇 |
2004年 | 151篇 |
2003年 | 140篇 |
2002年 | 120篇 |
2001年 | 89篇 |
2000年 | 90篇 |
1999年 | 72篇 |
1998年 | 66篇 |
1997年 | 68篇 |
1996年 | 46篇 |
1995年 | 46篇 |
1994年 | 36篇 |
1993年 | 43篇 |
1992年 | 25篇 |
1991年 | 27篇 |
1990年 | 27篇 |
1989年 | 11篇 |
1988年 | 17篇 |
1987年 | 20篇 |
1986年 | 13篇 |
1985年 | 10篇 |
1984年 | 8篇 |
1983年 | 3篇 |
1982年 | 7篇 |
1981年 | 3篇 |
1979年 | 4篇 |
1978年 | 2篇 |
1975年 | 2篇 |
1971年 | 3篇 |
1959年 | 2篇 |
1957年 | 2篇 |
排序方式: 共有3945条查询结果,搜索用时 281 毫秒
1.
Despite significant advances in first-principles calculation methods, there is no single exchange-correlation functional which predicts the ground state of materials without an error yet. We investigated how accurately ground states of binary semiconductors are described using 16 exchange-correlation functionals (with or without van der Waals corrections). LDA, PBEsol, SCAN (with or without rVV10 correction), and PBE with D3 van der Waals correction (zero or Becke-Johnson damping) show good predicting power. The lattice constants of stable phases were slightly better described by SCAN, PBEsol, PBE+D3 (Becke-Johnson damping), and MS2. We also propose a set of functionals to double-check the stability of new materials based on the majority vote. 相似文献
2.
深挖高职院校公选课“生活中的化学”的育人元素,精心设计教学内容,运用课堂主题辩论、趣味生活实验的设计与展示、探秘生活中的化学等理论知识传授与课内外实践相结合的教学方式,实现全过程育人,充分展现了公选课在立德树人方面的价值。 相似文献
3.
科学评价大学生科研创新能力对我国科研水平的提高具有重要意义.采用机器学习模型来预测大学生科研能力可以起到良好的效果,提出一种GAXGBoost模型来实现对大学生的科研能力预测.此模型是以Xgboost算法为基础,然后充分利用遗传算法的全局搜索能力自动搜索Xgboost最优超参数,避免了人为经验调参不准确的缺陷,最后采用精英选择策略以此确保每一轮都是最佳的进化结果.通过分析表明,所采用的GAXGBoost模型在大学生科研能力预测的结果中具有很高的精度,将此模型与Logistic Regression、Random Forest、SVM等模型进行对比,GAXGBoost模型的预测精度最高. 相似文献
4.
Renny Mathew Karolina A. Uchman Lydia Gkoura Chris J. Pickard Maria Baias 《Magnetic resonance in chemistry : MRC》2020,58(11):1018-1025
A combined experimental and computational approach was used to distinguish between different polymorphs of the pharmaceutical drug aspirin. This method involves the use of ab initio random structure searching (AIRSS), a density functional theory (DFT)-based crystal structure prediction method for the high-accuracy prediction of polymorphic structures, with DFT calculations of nuclear magnetic resonance (NMR) parameters and solid-state NMR experiments at natural abundance. AIRSS was used to predict the crystal structures of form-I and form-II of aspirin. The root-mean-square deviation between experimental and calculated 1H chemical shifts was used to identify form-I as the polymorph present in the experimental sample, the selection being successful despite the large similarities between the molecular environments in the crystals of the two polymorphs. 相似文献
5.
6.
飞行器液压导管受接头和卡箍等约束,在使用的振动环境中,会因弯曲应力而导致破裂,影响到飞行安全.本文对飞行器液压系统通用的不锈钢导管的裂纹萌生寿命进行了试验研究.首先在对8 mm、12 mm 无缺陷导管和含U 型缺口8 mm 导管的疲劳试验和有限元分析的基础上,得到了导管的最大拉应变-裂纹萌生寿命数据.然后采用基于强度极限和弹性模量估算法的Manson-Coffin 公式来预测导管裂纹萌生寿命.最后引入加载类型修正系数、表面质量修正系数、试样尺寸修正系数、应力集中敏感系数和有效应力集中系数,使修正后的公式对三种类型的导管均有较好的裂纹萌生寿命预测精度. 相似文献
7.
8.
Wolfram Bremser Roland Becker Heinrich Kipphardt Petra Lehnik-Habrink Ulrich Panne Antje Töpfer 《Accreditation and quality assurance》2006,11(10):489-495
ISO Guide 35 deals with RM stability issues and scrutinizes the evaluation of stability testing results under the assumption that either there is no trend at all (a rather rare situation), or any observed deterministic change is insignificant and thus can be neglected. However, market demands for reliable reference materials are obviously not limited to stable or at least seemingly stable materials. In many analytical applications, analytes and measurands under consideration are known, or at least suspected, to be unstable on time scales that may vary widely from measurand to measurand. The Federal Institute for Materials Research and Testing (BAM) has developed (and successfully uses) an integrated approach in its certification practice. The approach is based on an initial stability study and subsequent post-certification monitoring. Data evaluation is model-based and takes advantage of all information collected in the stability testing scheme(s). It thus allows one to deal with any kind of instability observed, to assess limiting time intervals at any stress condition in the range tested, to estimate a final expiry date for materials with detected instabilities or the maximum admissible re-testing interval for seemingly stable materials, and to assess maximum admissible stress loads during delivery of the material to the customer. The article describes (and exemplifies) typical study layout, the model selection, and the integrated data assessment. 相似文献
9.
Structural surface velocity distribution is often used to predict structural borne sound radiation. However the sampling interval of velocity should be chosen carefully to increase the prediction accuracy and to reduce the system cost. In this paper, several factors affecting the sampling interval are theoretically analyzed and discussed for a vibrating baffled rectangular plate. A new rule for the determination of the sampling interval is formulated. Using this rule, the results from both numerical simulations and experiments may be explained well. 相似文献
10.